ethyl 4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H29N4O5+ MolecularWeight: 393.45736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H28N4O5/c1-2-27-19(26)23-7-5-15(6-8-23)20-17(24)14-21-9-11-22(12-10-21)18(25)16-4-3-13-28-16/h3-4,13,15H,2,5-12,14H2,1H3,(H,20,24)/p+1